Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.06900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02784
2
0.00000
0.00000
-0.01786
3
0.00000
0.00000
-0.03028
4
0.00000
0.00000
0.02651
5
0.00000
0.00000
-0.01648
6
0.00000
0.00000
-0.03836
7
0.00000
0.00000
-0.00214
8
0.00000
0.00000
0.03289
9
0.00000
0.00000
-0.05346
10
0.00000
0.00000
-0.07416
11
0.00000
0.00000
-0.03403
12
0.00000
0.00000
0.06991
13
0.00000
0.00000
0.05351
14
0.00000
0.00000
-0.00734
15
0.00000
0.00000
0.05804
16
0.00000
0.00000
0.05364
17
0.00000
0.00000
-0.11880
18
0.00000
0.00000
-0.07461
19
0.00000
0.00000
0.06443
20
0.00000
0.00000
0.12400
21
0.00000
0.00000
0.01125
22
0.00000
0.00000
0.06811
23
0.00000
0.00000
-0.05953
24
0.00000
0.00000
-0.10255
25
0.00000
0.00000
0.11489
26
0.00000
0.00000
0.09768
27
0.00000
0.00000
-0.02490
28
0.00000
0.00000
0.08615
29
0.00000
0.00000
0.11291
30
0.00000
0.00000
-0.14403
31
0.00000
0.00000
-0.22452
32
0.00000
0.00000
0.21275